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Chemical ID: 4794810
Chemical ID:
4794810
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C34c5ccccc5N(C4=O)CC=C)Cc6ccccc6
InChi [?]:
InChI=1/C29H22N2O4/c1-3-15-30-22-12-8-7-11-21(22)29(28(30)34)24-25(32)20-16-18(2)13-14-23(20)35-26(24)27(33)31(29)17-19-9-5-4-6-10-19/h3-14,16H,1,15,17H2,2H3
InChi Info:
AuxInfo=1/0/N:28,1,27,33,32,34,19,20,31,35,18,21,3,4,26,7,29,2,30,6,17,22,5,10,8,11,13,24,16,23,15,9,14,25,12/E:(5,6)(9,10)/rA:35cCCCCCCCCOCCOCONCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s23;s26;d27;s15;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H22N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5425 |
Area: | 622.68 |
Solvation: | -4.02448 |
Coulombic: | -55.1476 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 462.496 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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